2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten

C14H30N2O2W — CID 156729436

IUPAC2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten
SMILESCC(C)CCCN1CCN(CCOCCO)CC1.[W]
InChIInChI=1S/C14H30N2O2.W/c1-14(2)4-3-5-15-6-8-16(9-7-15)10-12-18-13-11-17;/h14,17H,3-13H2,1-2H3;
InChIKeySMKKSCBWZZAFLY-UHFFFAOYSA-N
MW442.25 g/mol
LogP1.05
Rot. Bonds9

About 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten

2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten (PubChem CID 156729436) has the molecular formula C14H30N2O2W and a molecular weight of 442.25 g/mol. Its IUPAC name is 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten.

Molecular Properties

Compound Name2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten
PubChem CID156729436
Molecular FormulaC14H30N2O2W
Molecular Weight442.25 g/mol
Exact Mass442.18
IUPAC Name2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten
SMILESCC(C)CCCN1CCN(CCOCCO)CC1.[W]
InChIInChI=1S/C14H30N2O2.W/c1-14(2)4-3-5-15-6-8-16(9-7-15)10-12-18-13-11-17;/h14,17H,3-13H2,1-2H3;
InChIKeySMKKSCBWZZAFLY-UHFFFAOYSA-N
XLogP1.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten?
The IUPAC name of 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten (CID 156729436) is 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten.
What is the SMILES notation for 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten?
The canonical SMILES for 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten is CC(C)CCCN1CCN(CCOCCO)CC1.[W].
What is the InChIKey of 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten?
The InChIKey is SMKKSCBWZZAFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2.W/c1-14(2)4-3-5-15-6-8-16(9-7-15)10-12-18-13-11-17;/h14,17H,3-13H2,1-2H3;.
What are the key properties of 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten?
2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten has a molecular weight of 442.25 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methylpentyl)piperazin-1-yl]ethoxy]ethanol;tungsten is sourced from PubChem (CID 156729436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).